CID 130645408

Rac-(3r,4r)-1-[(tert-butoxy)carbonyl]-3,4-dimethylpyrrolidine-3-carboxylic acid, trans

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1CN(CC1(C)C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-8-6-13(7-12(8,5)9(14)15)10(16)17-11(2,3)4/h8H,6-7H2,1-5H3,(H,14,15)
InChIKey
ZPCYYDZCQYGSCB-UHFFFAOYSA-N
Compound name
3,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.0
[M+Na]+ 266.13628 162.7
[M+NH4]+ 261.18088 162.2
[M+K]+ 282.11022 160.8
[M-H]- 242.13978 153.0
[M+Na-2H]- 264.12173 157.7
[M]+ 243.14651 155.7
[M]- 243.14761 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

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No patent data available for this compound.